Geometry & MOs

Info

ID:	373126
PubChem CID:	131310384
Reduced:	BrClF2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	255.038771
ΔH_f, kcal/mol:	-172.39
Dipole, Da:	2.05
IP(EA), eV:	-9.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethoxythiophen-2-yl)-5-methylthiophen-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1Br)OC(F)F)CCl

DOS

IR

Vibrations